SCHEMBL14289647

SCHEMBL14289647

CCCCOc1ccc(/C=C/C(=O)OCC)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.56
HDAC8 Q9BY41 3/20 0.48
APP P05067 2/20 0.47
FDPS P14324 1/20 0.45
TTR P02766 1/20 0.45
DPP4 P27487 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP3A4 P08684 1/20 0.43
S1PR1 P21453 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13775062 0.89 HDAC8 (0.51) ESR1HDAC8DPP4S1PR1THRA
SCHEMBL15250798 0.88 HDAC8 (0.52) ESR1HDAC8APPFDPSTTR
SCHEMBL16864064 0.87 HDAC8 (0.49) ESR1HDAC8APPFDPSTTR
SCHEMBL16864078 0.86 HDAC8 (0.46) ESR1HDAC8APPFDPSTTR
SCHEMBL28368058 0.85 APP (0.52) ESR1APPATM
SCHEMBL27463292 0.85 APP (0.52) ESR1APPATM
SCHEMBL14531370 0.85 HDAC8 (0.45) ESR1HDAC8APPDPP4S1PR1
SCHEMBL15959107 0.84 APP (0.45) ESR1HDAC8APPFDPSTTR
SCHEMBL12652769 0.84 FBP1 (0.47) ESR1HDAC8APPFDPSTTR
SCHEMBL1549366 0.82 MEN1 (0.56) ESR1HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD ESR1 2155/4885HDAC8 1065/4885APP 2636/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.